⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL160079 | 0.79 | LTA4H (0.39) | — | |
| SCHEMBL4535895 | 0.78 | APP (0.30) | — | |
| SCHEMBL27682833 | 0.77 | PRSS1 (0.31) | — | |
| SCHEMBL159542 | 0.77 | KMT2A (0.34) | — | |
| SCHEMBL159421 | 0.72 | NQO1 (0.36) | — | |
| SCHEMBL7819273 | 0.72 | L3MBTL1 (0.39) | — | |
| SCHEMBL8196711 | 0.71 | KCNA3 (0.34) | — | |
| SCHEMBL8480062 | 0.71 | LSS (0.50) | — | |
| SCHEMBL27567586 | 0.69 | KCNA3 (0.35) | — | |
| SCHEMBL21680729 | 0.69 | PTPN1 (0.38) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5856503-A | ANTICHOLESTEROL AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1999-01-05 | — | — | US | disclosed |